N-[[5-fluoro-1-(2-methyl-5-phenyl-1,3-thiazole-4-carbonyl)piperidin-2-yl]methyl]-1-benzofuran-4-carboxamide

C26H24FN3O3S — CID 71715782

IUPACN-[[5-fluoro-1-(2-methyl-5-phenyl-1,3-thiazole-4-carbonyl)piperidin-2-yl]methyl]-1-benzofuran-4-carboxamide
SMILESCc1nc(C(=O)N2CC(F)CCC2CNC(=O)c2cccc3occc23)c(-c2ccccc2)s1
InChIInChI=1S/C26H24FN3O3S/c1-16-29-23(24(34-16)17-6-3-2-4-7-17)26(32)30-15-18(27)10-11-19(30)14-28-25(31)21-8-5-9-22-20(21)12-13-33-22/h2-9,12-13,18-19H,10-11,14-15H2,1H3,(H,28,31)
InChIKeyMOXXGRCLAOBXLS-UHFFFAOYSA-N
MW477.56 g/mol
LogP5.24
Rot. Bonds5

About N-[[5-fluoro-1-(2-methyl-5-phenyl-1,3-thiazole-4-carbonyl)piperidin-2-yl]methyl]-1-benzofuran-4-carboxamide

N-[[5-fluoro-1-(2-methyl-5-phenyl-1,3-thiazole-4-carbonyl)piperidin-2-yl]methyl]-1-benzofuran-4-carboxamide (PubChem CID 71715782) has the molecular formula C26H24FN3O3S and a molecular weight of 477.56 g/mol. Its IUPAC name is N-[[5-fluoro-1-(2-methyl-5-phenyl-1,3-thiazole-4-carbonyl)piperidin-2-yl]methyl]-1-benzofuran-4-carboxamide.

Molecular Properties

Compound NameN-[[5-fluoro-1-(2-methyl-5-phenyl-1,3-thiazole-4-carbonyl)piperidin-2-yl]methyl]-1-benzofuran-4-carboxamide
PubChem CID71715782
Molecular FormulaC26H24FN3O3S
Molecular Weight477.56 g/mol
Exact Mass477.15
IUPAC NameN-[[5-fluoro-1-(2-methyl-5-phenyl-1,3-thiazole-4-carbonyl)piperidin-2-yl]methyl]-1-benzofuran-4-carboxamide
SMILESCc1nc(C(=O)N2CC(F)CCC2CNC(=O)c2cccc3occc23)c(-c2ccccc2)s1
InChIInChI=1S/C26H24FN3O3S/c1-16-29-23(24(34-16)17-6-3-2-4-7-17)26(32)30-15-18(27)10-11-19(30)14-28-25(31)21-8-5-9-22-20(21)12-13-33-22/h2-9,12-13,18-19H,10-11,14-15H2,1H3,(H,28,31)
InChIKeyMOXXGRCLAOBXLS-UHFFFAOYSA-N
XLogP5.24
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.56
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[5-fluoro-1-(2-methyl-5-phenyl-1,3-thiazole-4-carbonyl)piperidin-2-yl]methyl]-1-benzofuran-4-carboxamide with MolForge

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Related Compounds

N-(((2S)-1-((5-(4-Fluorophenyl)-2-methyl-4-thiazolyl)carbonyl)-2-piperidinyl)methyl)-4-benzofurancarboxamide
CID 25195495
N-[[(2S,3R)-3-methyl-1-(2-methyl-5-phenyl-1,3-thiazole-4-carbonyl)piperidin-2-yl]methyl]-1-benzofuran-4-carboxamide
CID 70683741
N-[[1-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]piperidin-2-yl]methyl]-1-benzofuran-4-carboxamide
CID 70681618
N-[[(2S)-5-fluoro-1-(2-methyl-5-phenyl-1,3-thiazole-4-carbonyl)piperidin-2-yl]methyl]-1-benzofuran-4-carboxamide
CID 70685890
N-[[(2S,6S)-1-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-6-methylpiperidin-2-yl]methyl]-1-benzofuran-4-carboxamide
CID 70690042
2-(1-benzofuran-5-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide
CID 25095213
2-methyl-N-[[(2S,3R)-3-methyl-1-(2-methyl-5-phenyl-1,3-thiazole-4-carbonyl)piperidin-2-yl]methyl]-1-benzofuran-4-carboxamide
CID 70685886
N-[[(2S,3R)-1-(2-methyl-5-phenyl-1,3-thiazole-4-carbonyl)-3-(trifluoromethyl)piperidin-2-yl]methyl]-1-benzofuran-4-carboxamide
CID 70696350
3-methoxy-2-methyl-N-[[(2S,3R)-3-methyl-1-(2-methyl-5-phenyl-1,3-thiazole-4-carbonyl)piperidin-2-yl]methyl]benzamide
CID 70683742
N-[[1-(2-methyl-4-phenyl-1,3-thiazole-5-carbonyl)piperidin-2-yl]methyl]-1-benzofuran-4-carboxamide
CID 70690040
N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3,6,7-trimethyl-1-benzofuran-2-carboxamide
CID 24819350
N-[[1-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-6-methylpiperidin-2-yl]methyl]-1-benzofuran-4-carboxamide
CID 77913180

Frequently Asked Questions

What is the IUPAC name of N-[[5-fluoro-1-(2-methyl-5-phenyl-1,3-thiazole-4-carbonyl)piperidin-2-yl]methyl]-1-benzofuran-4-carboxamide?
The IUPAC name of N-[[5-fluoro-1-(2-methyl-5-phenyl-1,3-thiazole-4-carbonyl)piperidin-2-yl]methyl]-1-benzofuran-4-carboxamide (CID 71715782) is N-[[5-fluoro-1-(2-methyl-5-phenyl-1,3-thiazole-4-carbonyl)piperidin-2-yl]methyl]-1-benzofuran-4-carboxamide.
What is the SMILES notation for N-[[5-fluoro-1-(2-methyl-5-phenyl-1,3-thiazole-4-carbonyl)piperidin-2-yl]methyl]-1-benzofuran-4-carboxamide?
The canonical SMILES for N-[[5-fluoro-1-(2-methyl-5-phenyl-1,3-thiazole-4-carbonyl)piperidin-2-yl]methyl]-1-benzofuran-4-carboxamide is Cc1nc(C(=O)N2CC(F)CCC2CNC(=O)c2cccc3occc23)c(-c2ccccc2)s1.
What is the InChIKey of N-[[5-fluoro-1-(2-methyl-5-phenyl-1,3-thiazole-4-carbonyl)piperidin-2-yl]methyl]-1-benzofuran-4-carboxamide?
The InChIKey is MOXXGRCLAOBXLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24FN3O3S/c1-16-29-23(24(34-16)17-6-3-2-4-7-17)26(32)30-15-18(27)10-11-19(30)14-28-25(31)21-8-5-9-22-20(21)12-13-33-22/h2-9,12-13,18-19H,10-11,14-15H2,1H3,(H,28,31).
What are the key properties of N-[[5-fluoro-1-(2-methyl-5-phenyl-1,3-thiazole-4-carbonyl)piperidin-2-yl]methyl]-1-benzofuran-4-carboxamide?
N-[[5-fluoro-1-(2-methyl-5-phenyl-1,3-thiazole-4-carbonyl)piperidin-2-yl]methyl]-1-benzofuran-4-carboxamide has a molecular weight of 477.56 g/mol, XLogP of 5.24, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-fluoro-1-(2-methyl-5-phenyl-1,3-thiazole-4-carbonyl)piperidin-2-yl]methyl]-1-benzofuran-4-carboxamide is sourced from PubChem (CID 71715782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).